Chemical Properties of Desmethylclozapine (CAS 6104-71-8)

Desmethylclozapine

PDF Excel Molecule Calculator
InChI
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
InChI Key
JNNOSTQEZICQQP-UHFFFAOYSA-N
Formula
C17H17ClN4
SMILES
Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2
Molecular Weight1
312.80
CAS
6104-71-8
Other Names
  • N-Desmethylclozapine
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Physical Properties

Property Value Unit Source
log10WS -3.90 Crippen Calculated Property
logPoct/wat 3.380 Crippen Calculated Property
McVol 229.010 ml/mol McGowan Calculated Property
Inp [3001.40; 3001.40]   Show Hide
Inp 3001.40 NIST
Inp 3001.40 NIST

Similar Compounds

Clozapine. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Eruciflorine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Benazepril Me. 21-Hydroxyintergerrimine. (E)-Eruciflorine. Senecionine, 12-acetyl. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Acetylgynuramine. mexazolam. 3-propionyl-morphine. Methyldesorphine. Brucine.

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Sources

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